SCHEMBL7019140

SCHEMBL7019140

CC[C@H](COC(C)=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MMP8 P22894 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
CCR5 P51681 1/20 0.41
KLK7 P49862 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3008828 1.00 CYP1A2 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL9771995 0.91 CYP1A2 (0.67) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL1837097 0.87 CYP1A2 (0.58) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL6423861 0.87 CYP1A2 (0.58) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL1837099 0.87 CYP1A2 (0.58) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL2705027 0.86 CYP1A2 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL8103307 0.86 CYP1A2 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL2705028 0.86 CYP1A2 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL6423856 0.84 CYP1A2 (0.54) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL21046173 0.84 SMN1; SMN2 (0.54) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190192475-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2019-06-27 US disclosed
US-9724322-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-08 US disclosed
US-9724322-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-08 US disclosed
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2016-07-14 US disclosed
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2016-07-14 US disclosed
US-8518997-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-27 US disclosed
US-8518997-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-27 US disclosed
US-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-05-17 US disclosed
US-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-05-17 US disclosed
US-8106095-B2 modulators of peroxisome proliferator activated receptors; treating diabetes, polycystic ovary syndrome, hypertension, ischemia, stroke, irritable bowel disorder, inflammation, cardiovascular diseases; dyslipidema; [4-[[2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]-acetic acid JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-31 US disclosed
US-20100069496-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2010-03-18 US disclosed
US-7635718-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
US-7635718-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
US-20080085927-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2008-04-10 US disclosed
US-20080085927-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2008-04-10 US disclosed
US-7301050-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICAL N.V. (BE) 2007-11-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2224/4885CYP2D6 3104/4885PKM 1248/4885
US-20100069496-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2014/4885CYP2D6 2840/4885PKM 1190/4885
US-20190192475-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2224/4885CYP2D6 3104/4885PKM 1248/4885
US-20080085927-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2014/4885CYP2D6 2840/4885PKM 1190/4885
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2224/4885CYP2D6 3104/4885PKM 1248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.